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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216877

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1216877
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Tl', 'V', 'Cr', 'S']
  • Chemical System: Cr-S-Tl-V
  • Density: 5.051087669494731
  • Atomic Density: 0.05946577249029676
  • Unit Cell Volume: 470.8590980562618
  • Molar Volume: 10.127070595076612
  • Full Formula: Tl2 V9 Cr1 S16
  • Reduced Formula: Tl2V9CrS16
  • Formula Anonymous: AB2C9D16
  • Spacegroup Number: 10
  • Spacegroup Symbol: P12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -194.74564989
  • Final energy per atom: -6.955201781785715
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.